5-[(3-methylphenyl)amino]-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(3-methylphenyl)amino]-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-methylanilino)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-methylanilino)-3-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-methylanilino)-3-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(m-toluidino)-3-[(4-pyrazin-2-ylpiperazino)methyl]-1,3,4-thiadiazole-2-thione Formula: C18H21N7S2 MolecularWeight: 399.53624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)CN3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)CN3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C18H21N7S2/c1-14-3-2-4-15(11-14)21-17-22-25(18(26)27-17)13-23-7-9-24(10-8-23)16-12-19-5-6-20-16/h2-6,11-12H,7-10,13H2,1H3,(H,21,22)