N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CN3C=NC=N3)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CN3C=NC=N3)SCC(=O)N

InChI

InChI=1S/C18H17N5O2S/c19-17(24)10-26-16-4-2-1-3-15(16)22-18(25)14-7-5-13(6-8-14)9-23-12-20-11-21-23/h1-8,11-12H,9-10H2,(H2,19,24)(H,22,25)