2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)ethanamide

Systemtic Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)ethanamide Openeye Name: 2-[[4-allyl-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide CAS Name: 2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(9-ethyl-3-carbazolyl)acetamide IUPAC Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(9-ethylcarbazol-3-yl)acetamide Traditional Name: 2-[[4-allyl-5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1,2,4-triazol-3-yl]thio]-N-(9-ethylcarbazol-3-yl)acetamide Formula: C28H29N7OS2 MolecularWeight: 543.70616

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)CSC4=NC(=CC(=N4)C)C)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)CSC4=NC(=CC(=N4)C)C)C5=CC=CC=C51

InChI

InChI=1S/C28H29N7OS2/c1-5-13-35-25(16-37-27-29-18(3)14-19(4)30-27)32-33-28(35)38-17-26(36)31-20-11-12-24-22(15-20)21-9-7-8-10-23(21)34(24)6-2/h5,7-12,14-15H,1,6,13,16-17H2,2-4H3,(H,31,36)