4-[(4-nitrophenyl)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

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