1-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoyl]amino]thiourea CAS Name: 1-[[[3-nitro-4-(1H-1,2,4-triazol-5-ylthio)phenyl]-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoyl]amino]thiourea Traditional Name: 1-benzyl-3-[[3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzoyl]amino]thiourea Formula: C17H15N7O3S2 MolecularWeight: 429.4761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC(=C(C=C2)SC3=NC=NN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC(=C(C=C2)SC3=NC=NN3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N7O3S2/c25-15(21-22-16(28)18-9-11-4-2-1-3-5-11)12-6-7-14(13(8-12)24(26)27)29-17-19-10-20-23-17/h1-8,10H,9H2,(H,21,25)(H2,18,22,28)(H,19,20,23)