[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

Systemtic Name: [4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine Openeye Name: [5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methanamine CAS Name: [4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methanamine IUPAC Name: [5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methanamine Traditional Name: [5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methylamine Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CN

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CN

InChI

InChI=1S/C16H15N5O2S/c17-10-15-18-19-16(24-11-12-4-2-1-3-5-12)20(15)13-6-8-14(9-7-13)21(22)23/h1-9H,10-11,17H2