2-[2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]benzamide CAS Name: 2-[[2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]benzamide Traditional Name: 2-[[2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]acetyl]amino]benzamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2CC(=O)NC3=CC=CC=C3C(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2CC(=O)NC3=CC=CC=C3C(=O)N)N

InChI

InChI=1S/C18H18N6O2S/c19-16(26)13-8-4-5-9-14(13)21-15(25)10-24-17(20)22-23-18(24)27-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,26)(H2,20,22)(H,21,25)