2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrol-1-ylphenyl)ethanamide

Systemtic Name: 2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrol-1-ylphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrol-1-ylphenyl)acetamide CAS Name: 2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[3-(1-pyrrolyl)phenyl]acetamide IUPAC Name: 2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrol-1-ylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyrrol-1-ylphenyl)acetamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)N4C=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)N4C=CC=C4

InChI

InChI=1S/C26H27N5O2S/c1-4-13-31-25(20-9-7-12-23(16-20)33-19(2)3)28-29-26(31)34-18-24(32)27-21-10-8-11-22(17-21)30-14-5-6-15-30/h4-12,14-17,19H,1,13,18H2,2-3H3,(H,27,32)