(2R)-2-ethanimidoyl-4-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-ethanimidoyl-4-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanenitrile CAS Name: (2R)-4-[[4-hexyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-2-ethanimidoyl-4-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-3-keto-butyronitrile 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#N)C(=N)C

Isomeric SMILES

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)[C@@H](C#N)C(=N)C

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/h6-7,9-10,13,17,24,26H,3-5,8,11,14H2,1-2H3/t17-/m0/s1