1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(3-methylphenyl)thiourea

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(3-methylphenyl)thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(m-tolyl)thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3-methylphenyl)thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(m-tolyl)thiourea Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H16N6OS/c1-11-5-4-6-12(9-11)17-16(24)20-19-15(23)10-22-14-8-3-2-7-13(14)18-21-22/h2-9H,10H2,1H3,(H,19,23)(H2,17,20,24)