4-[[(2S)-2-[(5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-[(5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-[(5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide CAS Name: 4-[[(2S)-2-[[5-(3-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-[(5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-[(5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)thio]propanoyl]amino]benzamide Formula: C26H22N6O2S MolecularWeight: 482.55688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5=CC=CC=C5

InChI

InChI=1S/C26H22N6O2S/c1-16(25(34)29-18-13-11-17(12-14-18)23(27)33)35-26-31-30-24(32(26)19-7-3-2-4-8-19)21-15-28-22-10-6-5-9-20(21)22/h2-16,30H,1H3,(H2,27,33)(H,29,34)/t16-/m0/s1