2-[(4-azanyl-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(2-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-p-phenetyl-acetamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2N

InChI

InChI=1S/C20H20N6O2S/c1-2-28-15-9-7-14(8-10-15)22-18(27)12-29-20-25-24-19(26(20)21)17-11-13-5-3-4-6-16(13)23-17/h3-11,24H,2,12,21H2,1H3,(H,22,27)