methyl N-[[5-azanyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]methyl]carbamodithioate

Systemtic Name: methyl N-[[5-azanyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]methyl]carbamodithioate Openeye Name: methyl N-[(5-amino-1-benzyl-triazol-4-yl)methyl]carbamodithioate CAS Name: N-[[5-amino-1-(phenylmethyl)-4-triazolyl]methyl]carbamodithioic acid methyl ester IUPAC Name: methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate Traditional Name: N-[(5-amino-1-benzyl-triazol-4-yl)methyl]carbamodithioic acid methyl ester Formula: C12H15N5S2 MolecularWeight: 293.411

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)NCC1=C(N(N=N1)CC2=CC=CC=C2)N

Isomeric SMILES

CSC(=S)NCC1=C(N(N=N1)CC2=CC=CC=C2)N

InChI

InChI=1S/C12H15N5S2/c1-19-12(18)14-7-10-11(13)17(16-15-10)8-9-5-3-2-4-6-9/h2-6H,7-8,13H2,1H3,(H,14,18)