5-[(phenylmethyl)amino]-3-propylsulfanyl-1,2,4-triazole-1-carbothiohydrazide

Systemtic Name: 5-[(phenylmethyl)amino]-3-propylsulfanyl-1,2,4-triazole-1-carbothiohydrazide Openeye Name: 5-(benzylamino)-3-propylsulfanyl-1,2,4-triazole-1-carbothiohydrazide CAS Name: 5-[(phenylmethyl)amino]-3-(propylthio)-1,2,4-triazole-1-carbothiohydrazide IUPAC Name: 5-(benzylamino)-3-propylsulfanyl-1,2,4-triazole-1-carbothiohydrazide Traditional Name: 5-(benzylamino)-3-(propylthio)-1,2,4-triazole-1-carbothiohydrazide Formula: C13H18N6S2 MolecularWeight: 322.45222

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=N1)NCC2=CC=CC=C2)C(=S)NN

Isomeric SMILES

CCCSC1=NN(C(=N1)NCC2=CC=CC=C2)C(=S)NN

InChI

InChI=1S/C13H18N6S2/c1-2-8-21-12-16-11(19(18-12)13(20)17-14)15-9-10-6-4-3-5-7-10/h3-7H,2,8-9,14H2,1H3,(H,17,20)(H,15,16,18)