2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[[4-(2-furanylmethyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[[4-(2-furfuryl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)acetamide Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4

InChI

InChI=1S/C20H18N6O2S/c1-14-4-2-5-15(10-14)23-18(27)13-29-20-25-24-19(17-11-21-7-8-22-17)26(20)12-16-6-3-9-28-16/h2-11H,12-13H2,1H3,(H,23,27)