(E)-3-azanyl-2-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[4-hexyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]acetyl]but-2-enenitrile Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C22H26N6OS/c1-3-4-5-8-11-28-21(18-13-25-19-10-7-6-9-16(18)19)26-27-22(28)30-14-20(29)17(12-23)15(2)24/h6-7,9-10,13,26H,3-5,8,11,14,24H2,1-2H3/b17-15+,21-18?